
doi: 10.5281/zenodo.8088434 , 10.5281/zenodo.7302441 , 10.5281/zenodo.7668513 , 10.5281/zenodo.7271750 , 10.5281/zenodo.7908796 , 10.5281/zenodo.10403636 , 10.5281/zenodo.7517472 , 10.5281/zenodo.10403673 , 10.5281/zenodo.8311514 , 10.5281/zenodo.10117150 , 10.5281/zenodo.8406607 , 10.5281/zenodo.8147204 , 10.5281/zenodo.7686346 , 10.5281/zenodo.10108727 , 10.5281/zenodo.7239170 , 10.5281/zenodo.7586022 , 10.5281/zenodo.7102389 , 10.5281/zenodo.8433170 , 10.5281/zenodo.8332085 , 10.5281/zenodo.8157537 , 10.5281/zenodo.7920646 , 10.5281/zenodo.8237363 , 10.5281/zenodo.7764067 , 10.5281/zenodo.7555112 , 10.5281/zenodo.592220 , 10.5281/zenodo.8404437 , 10.5281/zenodo.7719062 , 10.5281/zenodo.8135437 , 10.5281/zenodo.8169642 , 10.5281/zenodo.8075985 , 10.5281/zenodo.7992642 , 10.5281/zenodo.8377369
doi: 10.5281/zenodo.8088434 , 10.5281/zenodo.7302441 , 10.5281/zenodo.7668513 , 10.5281/zenodo.7271750 , 10.5281/zenodo.7908796 , 10.5281/zenodo.10403636 , 10.5281/zenodo.7517472 , 10.5281/zenodo.10403673 , 10.5281/zenodo.8311514 , 10.5281/zenodo.10117150 , 10.5281/zenodo.8406607 , 10.5281/zenodo.8147204 , 10.5281/zenodo.7686346 , 10.5281/zenodo.10108727 , 10.5281/zenodo.7239170 , 10.5281/zenodo.7586022 , 10.5281/zenodo.7102389 , 10.5281/zenodo.8433170 , 10.5281/zenodo.8332085 , 10.5281/zenodo.8157537 , 10.5281/zenodo.7920646 , 10.5281/zenodo.8237363 , 10.5281/zenodo.7764067 , 10.5281/zenodo.7555112 , 10.5281/zenodo.592220 , 10.5281/zenodo.8404437 , 10.5281/zenodo.7719062 , 10.5281/zenodo.8135437 , 10.5281/zenodo.8169642 , 10.5281/zenodo.8075985 , 10.5281/zenodo.7992642 , 10.5281/zenodo.8377369
Use lru_cache to speed up get_el_sp by 400x (@v1kko). Related to lru_cache of get_el_sp, Species.properties is now deprecated in favor of setting Species(spin=5). The rationale is that spin is the only supported property for Species anyway. Species and DummySpecies is now mostly immutable, i.e., setting specie.spin = 5 have no effect. This is as intended since the first version of pymatgen.
If you use pymatgen in your research, please consider citing the following: In addition, some of pymatgen's functionality is based on scientific advances / principles developed by the computational materials scientists in our team. Please refer to pymatgen's docs at http://pymatgen.org on how to cite them.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 0 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
